%chk=000248414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248414

0 1
O 4.641292 0.838792 0.936005
O -6.386784 0.197480 0.137327
C 2.213359 0.454031 0.477344
C 1.505688 -0.807232 -0.110461
C 0.031681 -0.863251 0.315080
C -0.679453 0.391606 -0.274436
C 3.711048 0.174109 0.064374
C -2.174627 0.389731 0.134139
C 1.535805 1.695436 -0.126954
C 0.026777 1.688693 0.179143
C 2.435301 -1.969754 0.278943
C -2.858957 -0.919487 -0.343578
C -0.653738 -2.149621 -0.176341
C 3.855126 -1.372502 0.192730
C -2.134497 -2.156401 0.217765
C 2.131111 0.529282 2.011871
C -2.923953 1.601988 -0.458028
C -4.337826 -0.938969 0.080215
C 4.095802 0.722877 -1.321153
C -4.400187 1.603927 -0.048337
C -5.075201 0.288373 -0.465353
C 5.519346 0.354910 -1.730718
H 1.527413 -0.727930 -1.228209
H -0.039415 -0.830826 1.428043
H -0.618067 0.335244 -1.387783
H -2.241566 0.439870 1.246615
H 1.686643 1.732349 -1.221356
H 1.998593 2.616175 0.274475
H -0.130784 1.837577 1.265287
H -0.443113 2.559978 -0.315894
H 2.315905 -2.830834 -0.396683
H 2.216525 -2.338942 1.294468
H -2.807326 -0.957378 -1.459093
H -0.147695 -3.034114 0.253303
H -0.550958 -2.245832 -1.273475
H 4.457181 -1.629077 1.078371
H 4.406025 -1.786978 -0.668268
H -2.619166 -3.078288 -0.154318
H -2.232177 -2.188251 1.319720
H 1.092820 0.636303 2.350271
H 2.529290 -0.369749 2.491438
H 2.683445 1.399344 2.386964
H -2.836684 1.599048 -1.561218
H -2.449238 2.543350 -0.119935
H -4.838547 -1.859776 -0.273229
H -4.436174 -0.961187 1.183860
H 4.008500 1.829552 -1.292577
H 3.374297 0.360379 -2.077062
H -4.494495 1.730019 1.048809
H -4.920525 2.467998 -0.497533
H -5.207177 0.233341 -1.567705
H 4.569825 0.519010 1.853149
H 6.229670 0.641331 -0.940635
H 5.633354 -0.721352 -1.899650
H 5.814236 0.872269 -2.649073
H -6.936229 0.960760 -0.107452


%chk=000248414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248414

0 1
O 4.742182 0.947617 0.864610
O -6.527497 0.164685 -0.062690
C 2.255468 0.464441 0.509304
C 1.532362 -0.803955 -0.038844
C 0.035681 -0.865468 0.326723
C -0.684600 0.412202 -0.218901
C 3.755195 0.183907 0.064481
C -2.197449 0.394428 0.160115
C 1.559295 1.713444 -0.080632
C 0.036550 1.715206 0.229604
C 2.458772 -1.972338 0.382018
C -2.880561 -0.904427 -0.365027
C -0.648502 -2.145354 -0.208318
C 3.899255 -1.372939 0.284622
C -2.150895 -2.168914 0.143189
C 2.217951 0.540081 2.063061
C -2.967529 1.641395 -0.349034
C -4.383408 -0.942203 0.004144
C 4.067670 0.631635 -1.385930
C -4.470542 1.585793 0.017931
C -5.125641 0.295788 -0.511210
C 5.498095 0.302516 -1.862753
H 1.574209 -0.736455 -1.149985
H -0.068224 -0.875145 1.434460
H -0.620839 0.362663 -1.332227
H -2.266443 0.382209 1.272946
H 1.683663 1.723675 -1.180966
H 2.025517 2.641697 0.305300
H -0.134679 1.872942 1.314319
H -0.418471 2.584430 -0.282074
H 2.337131 -2.858199 -0.265611
H 2.228394 -2.293444 1.416348
H -2.797061 -0.889412 -1.476580
H -0.149542 -3.042695 0.206574
H -0.523552 -2.190585 -1.311502
H 4.484509 -1.569809 1.203228
H 4.467961 -1.830265 -0.542700
H -2.631823 -3.072457 -0.281883
H -2.269346 -2.234814 1.245572
H 1.186581 0.541059 2.449863
H 2.735554 -0.312584 2.542877
H 2.696501 1.475651 2.405938
H -2.853197 1.710309 -1.452289
H -2.531041 2.565049 0.073030
H -4.859216 -1.852434 -0.408149
H -4.502093 -0.983949 1.105842
H 3.927888 1.727964 -1.430377
H 3.328040 0.180628 -2.075781
H -4.590808 1.607525 1.119718
H -4.993326 2.477115 -0.387392
H -5.090263 0.308137 -1.625775
H 4.708341 0.624700 1.799759
H 6.236081 0.713218 -1.153966
H 5.673474 -0.785775 -1.948812
H 5.683345 0.745855 -2.858624
H -7.027620 0.973058 -0.344339


